1UK0
Crystal structure of catalytic domain of human poly(ADP-ribose) polymerase with a novel inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6B |
| Synchrotron site | Photon Factory |
| Beamline | BL-6B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-05-11 |
| Detector | RIGAKU |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.820, 53.550, 92.010 |
| Unit cell angles | 90.00, 114.40, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 3.000 |
| Rwork | 0.219 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.037 |
| RMSD bond angle | 5.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 3.180 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.075 * | 0.249 * |
| Number of reflections | 15613 | |
| Completeness [%] | 95.8 | 94.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 * | 293 | PEG400, Ammonium sulphate, Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 50 (mM) | |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | dithiothreitol | 1.5 (mM) | pH7.5 |
| 4 | 1 | reservoir | ammonium sulfate | 2.1-2.2 (M) | |
| 5 | 1 | reservoir | PEG400 | 2 (%) | |
| 6 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |
